Table 3 Test Ligands and their training sets
From: Local functional descriptors for surface comparison based binding prediction
Ligand | Test Cases (PDB codes) |
|---|---|
ATP | 1A0I 1A82 1ASZ 1E8X 1FMW 1G5T 1GN8 1JWA 1XEX 2BUP |
GLC | 1AC0 3ACG 1FAE 1GWM 1H5V 1J0K 1JLX 1K9I 2J0Y 2ZX3 |
DHT | 1AFS 1DHT 1I37 1I38 1KDK 2PIO 2PIP 3KLM 3L3X 3L3Z |
HEM | 1AOQ 1B0B 1CC5 1D0C 1DLY 1EW0 1SOX 1MZ4 2HBG 2Z6F |